SCHEMBL4156897

SCHEMBL4156897

Cc1cccc(-c2cc(-c3cncc(-c4ccc(CN5CC(O)C5)cc4)c3)c3cc[nH]c3n2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.41
CYP2C8 P10632 1/20 0.41
TGFBR1 P36897 1/20 0.41
JAK1 P23458 3/20 0.41
IKBKB O14920 1/20 0.38
CHUK O15111 1/20 0.38
ABL1 P00519 1/20 0.38
INSR P06213 1/20 0.38
CDK2 P24941 1/20 0.38
FLT3 P36888 1/20 0.38
MAP3K11 Q16584 1/20 0.38
AKT1 P31749 7/20 0.37
AKT2 P31751 7/20 0.37
TYRO3 Q06418 1/20 0.37
PDCD1 Q15116 4/20 0.35
CD274 Q9NZQ7 4/20 0.35
PIP4K2A P48426 1/20 0.35
PIP4K2B P78356 1/20 0.35
PIP4K2C Q8TBX8 1/20 0.35
JAK2 O60674 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3796221 0.86 PRKCQ (0.43) CYP3A4CYP2C8TGFBR1JAK1IKBKB
SCHEMBL4153901 0.85 TNKS (0.40) CYP3A4CYP2C8TGFBR1JAK1IKBKB
SCHEMBL4153895 0.85 TNKS (0.40) CYP3A4CYP2C8TGFBR1JAK1IKBKB
SCHEMBL4159713 0.85 TNKS (0.40) CYP3A4CYP2C8TGFBR1JAK1IKBKB
SCHEMBL4156276 0.85 MAP3K11 (0.42) CYP3A4CYP2C8TGFBR1JAK1IKBKB
SCHEMBL3664985 0.84 TGFBR1 (0.47) CYP3A4CYP2C8TGFBR1JAK1PIP4K2A
SCHEMBL4161605 0.84 MAP3K11 (0.43) CYP3A4CYP2C8TGFBR1JAK1IKBKB
SCHEMBL4158344 0.83 TGFBR1 (0.48) CYP3A4CYP2C8TGFBR1PIP4K2APIP4K2B
SCHEMBL4150489 0.82 TGFBR1 (0.47) CYP3A4CYP2C8TGFBR1JAK1PIP4K2A
SCHEMBL4158299 0.81 TGFBR1 (0.45) CYP3A4CYP2C8TGFBR1JAK1PIP4K2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101970435-B Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG 2014-07-02 CN claimed
CN-101970435-A Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG 2011-02-09 CN claimed
US-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines NOVARTIS AG (CH) 2009-07-16 US claimed
CN-101970435-B Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG 2014-07-02 CN disclosed
US-8314112-B2 Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG (CH) 2012-11-20 US disclosed
CN-101970435-A Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG 2011-02-09 CN disclosed
US-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines NOVARTIS AG (CH) 2009-07-16 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines ALK, ACVR1, PTPN4 CYP3A4 111/4885CYP2C8 1297/4885TGFBR1 128/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.